4995-0265 Screening compound: 4-[(4Z)-4-[(5-bromo-2-ethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

4995-0265 Screening compound: 4-[(4Z)-4-[(5-bromo-2-ethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
4995-0265 Screening compound: 4-[(4Z)-4-[(5-bromo-2-ethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4995-0265
4-[(4Z)-4-[(5-bromo-2-ethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4995-0265

Molecular Formula

C19H18BrN3O4S (C19 H18 BrN3 O4 S)

Compound Name

4-[(4Z)-4-[(5-bromo-2-ethoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

IUPAC name

4-[(4Z)-4-[(5-bromo-2-ethoxyphenyl)methylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

SMILES

CCOc(cc1)c(/C=C(/C(C)=NN2c(cc3)ccc3S(N)(=O)=O)\C2=O)cc1Br

InChI

InChI=1S/C19H18BrN3O4S/c1-3-27-18-9-4-14(20)10-13(18)11-17-12(2)22-23(19(17)24)15-5-7-16(8-6-15)28(21,25)26/h4-11H,3H2,1-2H3,(H2,21,25,26)

InChI Key

LNRFGCIEMPUNDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03217027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.153

Distribution Coefficient, logD

3.152

Water Solubility, LogSw

-3.46

Polar Surface Area

83.400

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4995-0265 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4995-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4995-0265?
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What is the minimum amount of 4995-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4995-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4995-0265
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4995-0265 available by request